# generated using pymatgen
data_CrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34610706
_cell_length_b   7.56299921
_cell_length_c   46.93678358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2
_chemical_formula_sum   'Cr16 Ni32'
_cell_volume   1187.81064605
_cell_formula_units_Z   16
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr1  1  0.512925  0.997467  0.282552  1
  Cr  Cr2  1  1.012925  0.497467  0.310555  1
  Cr  Cr3  1  0.512925  0.997467  0.337938  1
  Cr  Cr4  1  1.012925  0.497467  0.365575  1
  Cr  Cr5  1  0.512925  0.997467  0.393503  1
  Cr  Cr6  1  1.012925  0.497467  0.421396  1
  Cr  Cr7  1  0.512925  0.997467  0.449268  1
  Cr  Cr8  1  1.012925  0.497467  0.477161  1
  Cr  Cr9  1  0.512925  0.997467  0.505034  1
  Cr  Cr10  1  1.012925  0.497467  0.532926  1
  Cr  Cr11  1  0.512925  0.997467  0.560799  1
  Cr  Cr12  1  1.012925  0.497467  0.588692  1
  Cr  Cr13  1  0.512925  0.997467  0.616619  1
  Cr  Cr14  1  1.012925  0.497467  0.644257  1
  Cr  Cr15  1  0.512925  0.997467  0.671639  1
  Cr  Cr16  1  1.012925  0.497467  0.699642  1
  Ni  Ni17  1  1.012925  0.829852  0.310913  1
  Ni  Ni18  1  0.512925  0.664663  0.283636  1
  Ni  Ni19  1  0.512925  0.330272  0.283636  1
  Ni  Ni20  1  1.012925  0.165083  0.310913  1
  Ni  Ni21  1  1.012925  0.829279  0.365813  1
  Ni  Ni22  1  0.512925  0.665634  0.338007  1
  Ni  Ni23  1  0.512925  0.329301  0.338007  1
  Ni  Ni24  1  1.012925  0.165656  0.365813  1
  Ni  Ni25  1  1.012925  0.829260  0.421430  1
  Ni  Ni26  1  0.512925  0.665460  0.393547  1
  Ni  Ni27  1  0.512925  0.329475  0.393547  1
  Ni  Ni28  1  1.012925  0.165675  0.421430  1
  Ni  Ni29  1  1.012925  0.829286  0.477164  1
  Ni  Ni30  1  0.512925  0.665651  0.449294  1
  Ni  Ni31  1  0.512925  0.329284  0.449294  1
  Ni  Ni32  1  1.012925  0.165649  0.477164  1
  Ni  Ni33  1  1.012925  0.829284  0.532901  1
  Ni  Ni34  1  0.512925  0.665649  0.505031  1
  Ni  Ni35  1  0.512925  0.329286  0.505031  1
  Ni  Ni36  1  1.012925  0.165651  0.532901  1
  Ni  Ni37  1  1.012925  0.829475  0.588648  1
  Ni  Ni38  1  0.512925  0.665675  0.560765  1
  Ni  Ni39  1  0.512925  0.329260  0.560765  1
  Ni  Ni40  1  1.012925  0.165460  0.588648  1
  Ni  Ni41  1  1.012925  0.829301  0.644187  1
  Ni  Ni42  1  0.512925  0.665656  0.616382  1
  Ni  Ni43  1  0.512925  0.329279  0.616382  1
  Ni  Ni44  1  1.012925  0.165634  0.644187  1
  Ni  Ni45  1  1.012925  0.830272  0.698558  1
  Ni  Ni46  1  0.512925  0.665083  0.671281  1
  Ni  Ni47  1  0.512925  0.329852  0.671281  1
  Ni  Ni48  1  1.012925  0.164663  0.698558  1
